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Python has become the de facto language for scientific computing. Programming in Python is highly productive, mainly due to its rich science-oriented software ecosystem built around the NumPy module. As a result, the demand for Python…
We propose a programming technology that bridges cross-platform compatibility and hardware acceleration in ray tracing applications. Our methodology enables developers to define algorithms while our translator manages implementation…
Transformers, the standard implementation for large language models (LLMs), typically consist of tens to hundreds of discrete layers. While more layers can lead to better performance, this approach has been challenged as far from efficient,…
Convolutional neural networks (CNNs) have a large number of variables and hence suffer from a complexity problem for their implementation. Different methods and techniques have developed to alleviate the problem of CNN's complexity, such as…
Fast Fourier Transform (FFT) libraries are widely used for evaluating discrete convolutions. Most FFT implementations follow some variant of the Cooley-Tukey framework, in which the transform is decomposed into butterfly operations and…
TF.Learn is a high-level Python module for distributed machine learning inside TensorFlow. It provides an easy-to-use Scikit-learn style interface to simplify the process of creating, configuring, training, evaluating, and experimenting a…
Literate programming - the bringing together of program code and natural language narratives - has become a ubiquitous approach in the realm of data science. This methodology is appealing as well for the domain of Density Functional Theory…
In this paper we introduce "Federated Learning Utilities and Tools for Experimentation" (FLUTE), a high-performance open-source platform for federated learning research and offline simulations. The goal of FLUTE is to enable rapid…
One major technical challenge for modern analytical database systems is how to leverage GPU to exploit their massive parallelism and high bandwidth. Yet, existing GPU-driven database engines suffer from inefficiencies caused by frequent…
Discrete Fourier transform (DFT) is the base of modern signal or information processing. 1-Dimensional fast Fourier transform (1D FFT) and 2D FFT have time complexity O(NlogN) and O(N^2logN) respectively. Quantum 1D and 2D DFT algorithms…
The introduction of Intel(R) Xeon Phi(TM) coprocessors opened up new possibilities in development of highly parallel applications. The familiarity and flexibility of the architecture together with compiler support integrated into the Intel…
PySPH is an open-source, Python-based, framework for particle methods in general and Smoothed Particle Hydrodynamics (SPH) in particular. PySPH allows a user to define a complete SPH simulation using pure Python. High-performance code is…
PHAST is a software package written in standard Fortran, with MPI and CUDA extensions, able to efficiently perform parallel multicanonical Monte Carlo simulations of single or multiple heteropolymeric chains, as coarse-grained models for…
In the AI-for-science era, scientific computing scenarios such as concurrent learning and high-throughput computing demand a new generation of infrastructure that supports scalable computing resources and automated workflow management on…
The Epiphany is a many-core, low power, low on-chip memory architecture and one can very cheaply gain access to a number of parallel cores which is beneficial for HPC education and prototyping. The very low power nature of these…
Since its inception in 2016, Federated Learning (FL) has been gaining tremendous popularity in the machine learning community. Several frameworks have been proposed to facilitate the development of FL algorithms, but researchers often…
The plane wave method is most widely used for solving the Kohn-Sham equations in first-principles materials science computations. In this procedure, the three-dimensional (3-dim) trial wave functions' fast Fourier transform (FFT) is a…
Recent parameter-efficient finetuning (PEFT) techniques aim to improve over the considerable cost of fully finetuning large pretrained language models (PLM). As different PEFT techniques proliferate, it is becoming difficult to compare…
Convolution models with long filters have demonstrated state-of-the-art reasoning abilities in many long-sequence tasks but lag behind the most optimized Transformers in wall-clock time. A major bottleneck is the Fast Fourier Transform…
This paper introduces a novel approach to automatic ahead-of-time (AOT) parallelization and optimization of sequential Python programs for execution on distributed heterogeneous platforms. Our approach enables AOT source-to-source…